Glycoside
GD006441
Name:
NoneFormula:
C38H38O18N6P3Smiles:
O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)[C@H](O)[C@H]1O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21Aglycone:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O.O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.34 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 17 |
| MolWt: | 959.67 | Num_heavy_atoms: | 65 |
| TPSA: | 369.49 | NumAromaticRings: | 5 |
Unique Aglycone
AD02973
Formula: CH4O10P3
Smiles:
COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.95 | Num_heavy_atoms: | 14 |
| TPSA: | 168.31 | NumAromaticRings: | 0 |
AD05338
Formula: C33H29O5N6
Smiles:
O=C(NCCCCCCNc1ncnc2c1N=C[N]2)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 4.57 | Num_rotatable_bonds: | 9 |
| MolWt: | 589.63 | Num_heavy_atoms: | 44 |
| TPSA: | 160.13 | NumAromaticRings: | 4 |
